[5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol

C13H13BrN2O2 — CID 107725596

IUPAC[5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol
SMILESCc1cc(Oc2cnc(CO)cn2)cc(C)c1Br
InChIInChI=1S/C13H13BrN2O2/c1-8-3-11(4-9(2)13(8)14)18-12-6-15-10(7-17)5-16-12/h3-6,17H,7H2,1-2H3
InChIKeyCCXAVADCOUOPHG-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.14
Rot. Bonds3

About [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol

[5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol (PubChem CID 107725596) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol
PubChem CID107725596
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name[5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol
SMILESCc1cc(Oc2cnc(CO)cn2)cc(C)c1Br
InChIInChI=1S/C13H13BrN2O2/c1-8-3-11(4-9(2)13(8)14)18-12-6-15-10(7-17)5-16-12/h3-6,17H,7H2,1-2H3
InChIKeyCCXAVADCOUOPHG-UHFFFAOYSA-N
XLogP3.14
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-Fluoro-2-methylphenoxy)pyrazin-2-yl]methanol
CID 113951479
[3-Bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol
CID 118679538
[5-(2-Fluoro-4-methylphenoxy)pyrazin-2-yl]methanol
CID 146526310
[5-(2-Fluoro-6-methylphenoxy)pyrazin-2-yl]methanol
CID 146526452
(2R,3R,4S,5S)-2-[(4-bromo-3-methylphenoxy)methyl]-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556849
2-(3-Bromo-5-methylphenoxy)-5-(trifluoromethyl)pyrazine
CID 176233486
2-(3,5-Dimethylphenoxy)-5-(trifluoromethyl)pyrazine
CID 176690873
[6-(4-Bromo-3-fluorophenoxy)pyrazin-2-yl]methanol
CID 66465274
[6-[3-(Trifluoromethyl)phenoxy]pyrazin-2-yl]methanol
CID 66465494
[6-(4-Bromo-2-fluorophenoxy)pyrazin-2-yl]methanol
CID 66468213
[6-(2-Bromo-4-fluorophenoxy)pyrazin-2-yl]methanol
CID 66468443
[6-(2-Fluoro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 66468669

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol (CID 107725596) is [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol is Cc1cc(Oc2cnc(CO)cn2)cc(C)c1Br.
What is the InChIKey of [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol?
The InChIKey is CCXAVADCOUOPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-3-11(4-9(2)13(8)14)18-12-6-15-10(7-17)5-16-12/h3-6,17H,7H2,1-2H3.
What are the key properties of [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol?
[5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol has a molecular weight of 309.16 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-3,5-dimethylphenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107725596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).